(2S)-2-hydroxy-2-phenylpropanal

C9H10O2 — CID 11137335

IUPAC(2S)-2-hydroxy-2-phenylpropanal
SMILESC[C@@](O)(C=O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-7,11H,1H3/t9-/m1/s1
InChIKeyDJSCQCGHDWBAMG-SECBINFHSA-N
MW150.18 g/mol
LogP1.09
Rot. Bonds2

About (2S)-2-hydroxy-2-phenylpropanal

(2S)-2-hydroxy-2-phenylpropanal (PubChem CID 11137335) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenylpropanal.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenylpropanal
PubChem CID11137335
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(2S)-2-hydroxy-2-phenylpropanal
SMILESC[C@@](O)(C=O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-7,11H,1H3/t9-/m1/s1
InChIKeyDJSCQCGHDWBAMG-SECBINFHSA-N
XLogP1.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenylpropanal?
The IUPAC name of (2S)-2-hydroxy-2-phenylpropanal (CID 11137335) is (2S)-2-hydroxy-2-phenylpropanal.
What is the SMILES notation for (2S)-2-hydroxy-2-phenylpropanal?
The canonical SMILES for (2S)-2-hydroxy-2-phenylpropanal is C[C@@](O)(C=O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-2-phenylpropanal?
The InChIKey is DJSCQCGHDWBAMG-SECBINFHSA-N. The full InChI is InChI=1S/C9H10O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-7,11H,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-hydroxy-2-phenylpropanal?
(2S)-2-hydroxy-2-phenylpropanal has a molecular weight of 150.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-phenylpropanal is sourced from PubChem (CID 11137335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).